CAS RN: 2308035-51-8
E3 ligase Ligand-Linker Conjugates 15
Product Availability
Choose a grade to view its available package options.
4 package records4 with current stock1 grade group
- Product code: SSC-112496
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2308035-51-8 / 4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butanoic acid
Basic Information
CAS
2308035-51-8
Multi CAS
No
Molecular Formula
C19H19N3O8
Molecular Weight
417.400000
Exact Mass
417.117215
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCC(=O)NCCCC(=O)O
InChI
InChI=1S/C19H19N3O8/c23-13-7-6-11(17(27)21-13)22-18(28)10-3-1-4-12(16(10)19(22)29)30-9-14(24)20-8-2-5-15(25)26/h1,3-4,11H,2,5-9H2,(H,20,24)(H,25,26)(H,21,23,27)
InChIKey
RZVLFEVSXBBCIP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.37
Rotatable bonds
8
H-bond acceptors
7
H-bond donors
3
Molar refractivity
98.49
TPSA
159.18
LogP / Solubility
WLOGP
-0.55
MLOGP
-0.46
XLogP3
-0.7
Consensus LogP
-0.57
Log S (ESOL)
-1.7
Class (ESOL)
Soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.87
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-5.66
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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